MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

Feedback

Artemin

	Properties	Image
MNX_ID	MNXM119361
reference	chebi:168328
formula	C₁₅H₂₂O₄
global charge	0
mol weight	266.337
InChIKey	CJLHTKGWEUGORV-UHFFFAOYSA-N
InChI	InChI=1S/C15H22O4/c1-8-4-5-11(16)14(3)7-6-10-9(2)13(17)19-12(10)15(8,14)18/h9-12,16,18H,1,4-7H2,2-3H3
SMILES	C=C1CCC(O)C2(C)CCC3C(C)C(=O)OC3C12O

MNX internals

InChI (mnx)	InChI=1/C15H22O4/c1-8-4-5-11(16)14(3)7-6-10-9(2)13(17)19-12(10)15(8,14)18/h9-12,16,18H,1,4-7H2,2-3H3/t9?,10?,11?,12?,14?,15?
SMILES (mnx)	[CH2:1]=[C:8]1[CH2:4][CH2:5][CH:11]([OH:16])[C:14]2([CH3:3])[CH2:7][CH2:6][CH:10]3[CH:9]([CH3:2])[C:13](=[O:17])[O:19][CH:12]3[C:15]12[OH:18]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	0
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:168328 chebi:168328 CJLHTKGWEUGORV-UHFFFAOYSA-N	Artemin 6,9a-dihydroxy-3,5a-dimethyl-9-methylidene-3,3a,4,5,6,7,8,9b-octahydrobenzo[g][1]benzouran-2-one
hmdb:HMDB0034696 CJLHTKGWEUGORV-UHFFFAOYSA-N	Artemin (11a)-1b,5a-Dihydroxy-4(15)-eudesmen-12,6a-olide 11S-Artemin 6,9a-dihydroxy-3,5a-dimethyl-9-methylidene-dodecahydronaphtho[1,2-b]furan-2-one 6,9a-dihydroxy-3,5a-dimethyl-9-methylidene-octahydronaphtho[1,2-b]furan-2-one Artemin (sesquiterpene) Artemine [3S-(3alpha,3Aalpha,5abeta,6beta,9aalpha,9bbeta)]-decahydro-6,9a-dihydroxy-3,5a-dimethyl-9-methylenenaphtho[1,2-b]furan-2(3H)-one
hmdb:HMDB34696	secondary/obsolete/fantasy identifier